(1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride

C18H22ClFN2O — CID 45139779

IUPAC(1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride
SMILESCNC[C@@H](O)[C@H](c1cccc(F)c1)N1CCc2ccccc21.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-20-12-17(22)18(14-6-4-7-15(19)11-14)21-10-9-13-5-2-3-8-16(13)21;/h2-8,11,17-18,20,22H,9-10,12H2,1H3;1H/t17-,18+;/m1./s1
InChIKeySTELSYDZPWCAMN-URBRKQAFSA-N
MW336.84 g/mol
LogP2.93
Rot. Bonds5

About (1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride

(1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride (PubChem CID 45139779) has the molecular formula C18H22ClFN2O and a molecular weight of 336.84 g/mol. Its IUPAC name is (1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride
PubChem CID45139779
Molecular FormulaC18H22ClFN2O
Molecular Weight336.84 g/mol
Exact Mass336.14
IUPAC Name(1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride
SMILESCNC[C@@H](O)[C@H](c1cccc(F)c1)N1CCc2ccccc21.Cl
InChIInChI=1S/C18H21FN2O.ClH/c1-20-12-17(22)18(14-6-4-7-15(19)11-14)21-10-9-13-5-2-3-8-16(13)21;/h2-8,11,17-18,20,22H,9-10,12H2,1H3;1H/t17-,18+;/m1./s1
InChIKeySTELSYDZPWCAMN-URBRKQAFSA-N
XLogP2.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride (CID 45139779) is (1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride is CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CCc2ccccc21.Cl.
What is the InChIKey of (1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride?
The InChIKey is STELSYDZPWCAMN-URBRKQAFSA-N. The full InChI is InChI=1S/C18H21FN2O.ClH/c1-20-12-17(22)18(14-6-4-7-15(19)11-14)21-10-9-13-5-2-3-8-16(13)21;/h2-8,11,17-18,20,22H,9-10,12H2,1H3;1H/t17-,18+;/m1./s1.
What are the key properties of (1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride?
(1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 45139779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).